N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide

C17H23N3O3 — CID 102553027

IUPACN-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)N2CCCCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12(20-10-5-3-4-9-15(20)21)16(22)19-14-8-6-7-13(11-14)17(23)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyMMCSLUJOMLRXTJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.78
Rot. Bonds4

About N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide

N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide (PubChem CID 102553027) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
PubChem CID102553027
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)N2CCCCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12(20-10-5-3-4-9-15(20)21)16(22)19-14-8-6-7-13(11-14)17(23)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyMMCSLUJOMLRXTJ-UHFFFAOYSA-N
XLogP1.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
2-[[(2R)-2-(2-oxopiperidin-1-yl)propanoyl]amino]-N-propan-2-ylbenzamide
CID 95327251
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
(2R)-N-(2-methyl-3H-benzimidazol-5-yl)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 92604255
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide?
The IUPAC name of N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide (CID 102553027) is N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide.
What is the SMILES notation for N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide?
The canonical SMILES for N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide is CNC(=O)c1cccc(NC(=O)C(C)N2CCCCCC2=O)c1.
What is the InChIKey of N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide?
The InChIKey is MMCSLUJOMLRXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(20-10-5-3-4-9-15(20)21)16(22)19-14-8-6-7-13(11-14)17(23)18-2/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide?
N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-oxoazepan-1-yl)propanoylamino]benzamide is sourced from PubChem (CID 102553027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).